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psychemistz/spatial-gpu

By psychemistz

•Updated 6 months ago

Image
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psychemistz/spatial-gpu repository overview

⁠spatial-gpu Docker Images

GPU-accelerated spatial omics analysis with SpaCET deconvolution and SecAct signaling.

⁠Quick Start

# CPU (works on Windows, Mac, Linux)
docker run -it --rm -v $(pwd):/workspace psychemistz/spatial-gpu:latest

# GPU (requires NVIDIA Container Toolkit)
docker run -it --rm --gpus all -v $(pwd):/workspace psychemistz/spatial-gpu:gpu

# Jupyter Lab
docker run -it --rm -p 8888:8888 -v $(pwd):/workspace psychemistz/spatial-gpu:latest \
    jupyter lab --ip=0.0.0.0 --no-browser --allow-root

⁠Available Tags

TagPythonGPU (CuPy)R (SpaCET)SecActUse Case
latest, cpu3.x--YesStandard analysis
gpu3.xCUDA 12.2-YesGPU-accelerated analysis
with-r, cpu-with-r3.x-YesYesR cross-validation
gpu-with-r3.xCUDA 12.2YesYesFull stack

⁠Docker Compose

# Start CPU container
docker compose up -d spatial-gpu

# Start GPU container
docker compose up -d spatial-gpu-gpu

# Jupyter Lab (CPU: port 8888, GPU: port 8889, R: port 8890)
docker compose up spatial-gpu-jupyter
docker compose up spatial-gpu-jupyter-gpu

# Enter running container
docker compose exec spatial-gpu bash

⁠Build from Source

# CPU (default)
docker build -t spatial-gpu:latest .

# GPU
docker build -t spatial-gpu:gpu --build-arg USE_GPU=true .

# With R SpaCET
docker build -t spatial-gpu:with-r --build-arg INSTALL_R=true .

# GPU + R (full stack)
docker build -t spatial-gpu:gpu-with-r --build-arg USE_GPU=true --build-arg INSTALL_R=true .

⁠Platform Support

PlatformCPUGPU
Linux (x86_64)YesYes (NVIDIA GPU + Container Toolkit)
macOS (Intel)YesNo
macOS (Apple Silicon)Yes (Rosetta 2)No
Windows (WSL2)YesYes (NVIDIA GPU + WSL2 CUDA)
⁠Windows GPU Setup
  1. Install WSL2⁠
  2. Install NVIDIA drivers for WSL⁠
  3. Install Docker Desktop⁠ with WSL2 backend
  4. Run: docker run --gpus all psychemistz/spatial-gpu:gpu nvidia-smi

⁠Included Packages

Python: spatial-gpu (spatialgpu), secactpy, scanpy, squidpy, anndata, scikit-learn, matplotlib, jupyter

GPU (gpu tag): CuPy (CUDA 12.2)

R (with-r tags): SpaCET, Seurat, Matrix, Rcpp, RcppArmadillo, rhdf5

Tag summary

Content type

Image

Digest

sha256:97d3c0f1b…

Size

843.7 MB

Last updated

6 months ago

docker pull psychemistz/spatial-gpu